CID 15522031

2-(piperazin-1-yl)acetonitrile dihydrochloride

Structural Information

Molecular Formula
C6H11N3
SMILES
C1CN(CCN1)CC#N
InChI
InChI=1S/C6H11N3/c7-1-4-9-5-2-8-3-6-9/h8H,2-6H2
InChIKey
XHOHVIKZCDXJNK-UHFFFAOYSA-N
Compound name
2-piperazin-1-ylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

313
Patents

125.0953 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.10258 123.1
[M+Na]+ 148.08452 130.1
[M-H]- 124.08802 121.5
[M+NH4]+ 143.12912 139.5
[M+K]+ 164.05846 127.9
[M+H-H2O]+ 108.09256 109.6
[M+HCOO]- 170.09350 137.1
[M+CH3COO]- 184.10915 181.0
[M+Na-2H]- 146.06997 129.4
[M]+ 125.09475 112.3
[M]- 125.09585 112.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe